1-tert-butyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione CAS Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-tert-butyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-tert-butyl-7H-xanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C9H12N4O2/c1-9(2,3)13-7(14)5-6(11-4-10-5)12-8(13)15/h4H,1-3H3,(H,10,11)(H,12,15)